sanya
sanya@photonics.ru
On Sat Mar 9 '19 4:52pm, Andrey Degtyarev wrote
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>Hi
>I'm trying to optimize geometry with EFP.
>Program terminated whith error:
> ..... SOLVING CPHF IN THE AO BASIS .....
> ..... 30 ITERATIONS CARRIED OUT .....
> FATAL: TOO MANY ITERATIONS IN CPKS!
> ADDRESS 0xEFF9504B HAS INITIATED PROGRAM ABORT BECAUSE OF FATAL ERROR(S)
>I could not find where to increase the number of iterations in CPKS
>Input adn output attached